(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol

C13H23N3O2 — CID 114686834

IUPAC(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
SMILESCCOC1(C(O)c2cnnn2C)CCC(C)CC1
InChIInChI=1S/C13H23N3O2/c1-4-18-13(7-5-10(2)6-8-13)12(17)11-9-14-15-16(11)3/h9-10,12,17H,4-8H2,1-3H3
InChIKeyNKALPURLNVMALM-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.83
Rot. Bonds4

About (1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol

(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol (PubChem CID 114686834) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
PubChem CID114686834
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
SMILESCCOC1(C(O)c2cnnn2C)CCC(C)CC1
InChIInChI=1S/C13H23N3O2/c1-4-18-13(7-5-10(2)6-8-13)12(17)11-9-14-15-16(11)3/h9-10,12,17H,4-8H2,1-3H3
InChIKeyNKALPURLNVMALM-UHFFFAOYSA-N
XLogP1.83
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114689332
(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol
CID 114686777
(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116754837
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanol
CID 114645869
(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol
CID 114686842
N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689341
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 116754734
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846
(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114685116
(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755312
(1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanol
CID 116754651
(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol
CID 116754822

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol (CID 114686834) is (1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol is CCOC1(C(O)c2cnnn2C)CCC(C)CC1.
What is the InChIKey of (1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is NKALPURLNVMALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-18-13(7-5-10(2)6-8-13)12(17)11-9-14-15-16(11)3/h9-10,12,17H,4-8H2,1-3H3.
What are the key properties of (1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol?
(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 253.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 114686834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).